5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

C10H19Cl2NO — CID 106147101

IUPAC5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,4-3-5-14)8-13-7-9(12)6-11/h6,13-14H,3-5,7-8H2,1-2H3
InChIKeyWSPNORWGURMJPO-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.69
Rot. Bonds7

About 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol

5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147101) has the molecular formula C10H19Cl2NO and a molecular weight of 240.17 g/mol. Its IUPAC name is 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147101
Molecular FormulaC10H19Cl2NO
Molecular Weight240.17 g/mol
Exact Mass239.08
IUPAC Name5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCC(Cl)=CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,4-3-5-14)8-13-7-9(12)6-11/h6,13-14H,3-5,7-8H2,1-2H3
InChIKeyWSPNORWGURMJPO-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol (CID 106147101) is 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCC(Cl)=CCl.
What is the InChIKey of 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is WSPNORWGURMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NO/c1-10(2,4-3-5-14)8-13-7-9(12)6-11/h6,13-14H,3-5,7-8H2,1-2H3.
What are the key properties of 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol?
5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 240.17 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichloroprop-2-enylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).